ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006894
RECORD_TITLE: CYCLOHEXYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: CYCLOHEXYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₄O₂
CH$EXACT_MASS: 142.09938
CH$SMILES: CC(=O)OC(C1)CCCC1
CH$IUPAC: InChI=1S/C8H14O2/c1-7(9)10-8-5-3-2-4-6-8/h8H,2-6H2,1H3
CH$LINK: INCHIKEY YYLLIJHXUHJATK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6052299

AC$INSTRUMENT: HITACHI M-80B
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-000x-9000000000-19ac28671ee5bdd23df4
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  15 5.35 54
  27 9.78 98
  28 3.26 33
  29 7.13 71
  39 11.4 114
  40 1.54 15
  41 18.18 182
  42 5.97 60
  43 99.99 999
  44 5.11 51
  53 3.12 31
  54 16.08 161
  55 16.4 164
  56 1.69 17
  57 7.43 74
  58 6.59 66
  59 1.07 11
  61 6.93 69
  67 44.28 443
  68 2.46 25
  71 2.69 27
  79 1.09 11
  81 6.12 61
  82 61.51 615
  83 8.71 87
  99 3.22 32
  100 3.1 31
//